SCHEMBL1082200

SCHEMBL1082200

O=c1ccc2cc(-c3cccc(C(F)(F)F)c3)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.56
PGR P06401 1/20 0.55
XDH P47989 1/20 0.50
MGLL Q99685 1/20 0.49
CDC7 O00311 1/20 0.48
MAPT P10636 1/20 0.47
AR P10275 1/20 0.47
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
F11 P03951 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP11 Q9NR21 1/20 0.45
MAPK14 Q16539 1/20 0.44
PDPK1 O15530 1/20 0.44
NOTUM Q6P988 1/20 0.43
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
GPX4 P36969 1/20 0.42
GSK3B P49841 1/20 0.42
PIM3 Q86V86 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4294313 0.86 AR (0.50) KIF11MGLLMAPTARCA12
SCHEMBL29456298 0.82 AR (0.55) KIF11MAPTARCA12CA9
SCHEMBL3777284 0.82 AR (0.55) KIF11MAPTARCA12CA9
SCHEMBL4552802 0.79 CA12 (0.57) PGRXDHARCA12CA9
SCHEMBL1771598 0.77 AR (0.57) XDHMAPTARMAP4K4PIM1
SCHEMBL13680545 0.77 CA12 (0.67) XDHMAPTCA12CA9F11
SCHEMBL4293404 0.77 HSD17B1 (0.56) CA12CA9F11CA1CA3
SCHEMBL17818454 0.77 NPC1 (0.62) KIF11PGRCDC7CA12CA9
SCHEMBL7893758 0.77 KIF11 (0.50) KIF11XDHMGLLMAPTAR
SCHEMBL7896641 0.77 KIF11 (0.50) KIF11XDHMAPTARCA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303182-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES NOVARTIS AG (CH) 2014-10-09 US disclosed
US-20130338171-A1 Pharmaceutically Acceptable Salts of Quinolinone Compounds Having Improved Pharmaceutical Properties NOVARTIS AG (CH) 2013-12-19 US disclosed
US-20130018058-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES CAI SHAOPEI (US) 2013-01-17 US disclosed
US-7875624-B2 administering a cancer patient 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one in the treatment of disorders relating to cell adhesion and metastatic processes; for monitoring the effects of drug by measuring the levels of ICAM, VCAM, or E-selectin in the patient NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-01-25 US disclosed
US-20090181979-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-07-16 US disclosed
US-20050239825-A1 Modulation of inflammatory and metastatic processes CHIRON CORPORATION 2005-10-27 US disclosed
US-20050209247-A1 Lactate salt of 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one; improved water solubility and physicochemical properties (e.g., stability, hygroscopicity, crystallinity, and compactibility); vascular endothelial growth factor receptor tyrosine kinase inhibitors CHIRON CORPORATION 2005-09-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130338171-A1 Pharmaceutically Acceptable Salts of Quinolinone Compounds Having Improved Pharmaceutical Properties H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 KIF11 129/4885PGR 4444/4885XDH 366/4885
US-20050239825-A1 Modulation of inflammatory and metastatic processes VCAM1, EPCAM, ICAM1 KIF11 3089/4885PGR 1373/4885XDH 1445/4885
US-20090181979-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 KIF11 129/4885PGR 4444/4885XDH 366/4885
US-20050209247-A1 Lactate salt of 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one; improved water solubility and physicochemical properties (e.g., stability, hygroscopicity, crystallinity, and compactibility); vascular endothelial growth factor receptor tyrosine kinase inhibitors KDR, FLT4, FLT1 KIF11 336/4885PGR 3444/4885XDH 938/4885
US-20140303182-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 KIF11 129/4885PGR 4444/4885XDH 366/4885
US-20130018058-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 KIF11 129/4885PGR 4444/4885XDH 366/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.